(2E)-2-butan-2-ylidenecyclohexan-1-one

C10H16O — CID 12666650

IUPAC(2E)-2-butan-2-ylidenecyclohexan-1-one
SMILESCC/C(C)=C1\CCCCC1=O
InChIInChI=1S/C10H16O/c1-3-8(2)9-6-4-5-7-10(9)11/h3-7H2,1-2H3/b9-8+
InChIKeyRSHIZIUSBPANAE-CMDGGOBGSA-N
MW152.24 g/mol
LogP2.86
Rot. Bonds1

About (2E)-2-butan-2-ylidenecyclohexan-1-one

(2E)-2-butan-2-ylidenecyclohexan-1-one (PubChem CID 12666650) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E)-2-butan-2-ylidenecyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-butan-2-ylidenecyclohexan-1-one
PubChem CID12666650
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2E)-2-butan-2-ylidenecyclohexan-1-one
SMILESCC/C(C)=C1\CCCCC1=O
InChIInChI=1S/C10H16O/c1-3-8(2)9-6-4-5-7-10(9)11/h3-7H2,1-2H3/b9-8+
InChIKeyRSHIZIUSBPANAE-CMDGGOBGSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E)-2-butan-2-ylidenecyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butan-2-ylidenecyclohexan-1-one?
The IUPAC name of (2E)-2-butan-2-ylidenecyclohexan-1-one (CID 12666650) is (2E)-2-butan-2-ylidenecyclohexan-1-one.
What is the SMILES notation for (2E)-2-butan-2-ylidenecyclohexan-1-one?
The canonical SMILES for (2E)-2-butan-2-ylidenecyclohexan-1-one is CC/C(C)=C1\CCCCC1=O.
What is the InChIKey of (2E)-2-butan-2-ylidenecyclohexan-1-one?
The InChIKey is RSHIZIUSBPANAE-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16O/c1-3-8(2)9-6-4-5-7-10(9)11/h3-7H2,1-2H3/b9-8+.
What are the key properties of (2E)-2-butan-2-ylidenecyclohexan-1-one?
(2E)-2-butan-2-ylidenecyclohexan-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butan-2-ylidenecyclohexan-1-one is sourced from PubChem (CID 12666650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).